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Ligand

NameRUTIN
Molecular formulaC27H30O16
IUPAC name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular weight610.521
Hydrogen bond acceptor16
Hydrogen bond donor10
XlogP-1.3
Synonyms153-18-4
rutoside
Phytomelin
Quercetin 3-rutinoside
Birutan
[ Show all ]
Inchi KeyIKGXIBQEEMLURG-NVPNHPEKSA-N
Inchi IDInChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
PubChem CID5280805
ChEMBLCHEMBL226335
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
135297Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
135296Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
135298Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
447023Neuromedin-U receptor 2Q9GZQ4NMUR2Homo sapiens (Human)415

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